2-Bromo-2'-methylacetophenone - ≥96%(GC) , CAS No.51012-65-8

CAS: 51012-65-8 Cat. No.: B151855 Fórmula: C₉H₉BrO Peso molecular: 213.07 Número CE: 808-002-0

GRADE & PURITY ≥96%(GC)

Synonyms

Tri-13(Z)-Docosenoin | Ethanone, 2-bromo-1-(methylphenyl)- | 2-bromo-1-(2-methylphenyl)ethan-1-one | STL511022 | 2-Bromo-1-o-tolyl-ethanone | 2-Bromo-2 inverted exclamation mark -methylacetophenone | 4-17-00-04700 (Beilstein Handbook Reference) | B4750 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

2-Bromo-2'-methylacetophenone is an aromatic building block for proteomics research.

Specifications

Sinónimos

Tri-13(Z)-Docosenoin | Ethanone, 2-bromo-1-(methylphenyl)- | 2-bromo-1-(2-methylphenyl)ethan-1-one | STL511022 | 2-Bromo-1-o-tolyl-ethanone | 2-Bromo-2 inverted exclamation mark -methylacetophenone | 4-17-00-04700 (Beilstein Handbook Reference) | B4750 |

Especificações e pureza

≥96%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥96%(GC)

Nomes e identificadores

• Pubchem Sid: 504767107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767107
• Sorrisos canónicos: CC1=CC=CC=C1C(=O)CBr
• IUPAC Name: 2-bromo-1-(2-methylphenyl)ethanone
• InChIKey: XMGAXELQRATLJP-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,6H2,1H3
• SMILES isoméricas: CC1=CC=CC=C1C(=O)CBr
• Peso molecular: 213.07
• Reaxy-Rn: 508116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Toluenes Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Sensibilidade: Hygroscopic
• Índice de refração: 1.58
• Ponto de inflamação (°C): 70 °C
• Ponto de ebulição (°C): 83 °C
• Peso molecular: 213.070 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.984 Da
• Monoisotopic Mass: 211.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 144.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 51012-65-8, the molecular formula is C9H9BrO, and the molecular weight is 213.07 g/mol. InChIKey XMGAXELQRATLJP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.